5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide

C14H14Cl2N2O3S — CID 110295030

IUPAC5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2O3S/c1-21-11-4-2-3-10(7-11)5-6-18-22(19,20)12-8-13(15)14(16)17-9-12/h2-4,7-9,18H,5-6H2,1H3
InChIKeyZOHKKVLOKCOEBF-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.92
Rot. Bonds6

About 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 110295030) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID110295030
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Name5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2O3S/c1-21-11-4-2-3-10(7-11)5-6-18-22(19,20)12-8-13(15)14(16)17-9-12/h2-4,7-9,18H,5-6H2,1H3
InChIKeyZOHKKVLOKCOEBF-UHFFFAOYSA-N
XLogP2.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide
CID 173342920
3-chloro-4-fluoro-N-[[6-[3-(3-methoxyphenyl)propanoyl]-3-pyridinyl]methyl]benzenesulfonamide
CID 147583401
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide (CID 110295030) is 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide is COc1cccc(CCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is ZOHKKVLOKCOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S/c1-21-11-4-2-3-10(7-11)5-6-18-22(19,20)12-8-13(15)14(16)17-9-12/h2-4,7-9,18H,5-6H2,1H3.
What are the key properties of 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 361.25 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110295030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).